175 citations · 1.3k across the 40 of their papers we have counts for
5 papers · 1 filter
Analysis of two-orbital correlations in wavefunctions restricted to electron-pair states
Katharina Boguslawski, Paweł Tecmer, Örs Legeza
Wavefunctions constructed from electron-pair states can accurately model strong electron correlation effects and are promising approaches especially for larger many-body systems. I…
Dissecting the Bond Formation Process of -Metal-Ethene Complexes with Multireference Approaches
Yilin Zhao, Katharina Boguslawski, Paweł Tecmer +4
The bonding mechanism of ethene to a nickel or palladium center is studied by the density matrix renormalization group algorithm, the complete active space self consistent field me…
Projected seniority-two orbital optimization of the Antisymmetric Product of one-reference orbital Geminal
Katharina Boguslawski, Paweł Tecmer, Peter A. Limacher +5
We present a new, non-variational orbital-optimization scheme for the Antisymmetric Product of one-reference orbital Geminal wave function. Our approach is motivated by the observa…
Quantum Entanglement in Carbon-Carbon, Carbon-Phosphorus and Silicon-Silicon Bonds
Matthieu Mottet, Pawel Tecmer, Katharina Boguslawski +2
The chemical bond is an important local concept to understand chemical compounds and processes. Unfortunately, like most local concepts, the chemical bond and the bond order do not…
Efficient description of strongly correlated electrons with mean-field cost
Katharina Boguslawski, Paweł Tecmer, Paul W. Ayers +3
We present an efficient approach to the electron correlation problem that is well-suited for strongly interacting many-body systems, but requires only mean-field-like computational…